{"id":2212,"date":"2024-04-10T13:29:50","date_gmt":"2024-04-10T11:29:50","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2212"},"modified":"2025-08-29T11:56:41","modified_gmt":"2025-08-29T09:56:41","slug":"proyecto-computational-modelling-and-design-of-thermoelectric-materials-based-on-metal-chalcogenides-and-oxychalcogenides-the-effects-of-the-chemical-composition","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-computational-modelling-and-design-of-thermoelectric-materials-based-on-metal-chalcogenides-and-oxychalcogenides-the-effects-of-the-chemical-composition\/","title":{"rendered":"Computational modelling and design of thermoelectric materials based on metal chalcogenides and oxychalcogenides: the effects of the chemical composition"},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Researchers:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li>Jose Javier Plata Ramos.\u00a0Universidad de Sevilla (<a href=\"https:\/\/www.us.es\/\" target=\"_blank\" rel=\"noopener\">US<\/a>).<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-descripcion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Description:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (<a href=\"https:\/\/www.res.es\/\" target=\"_blank\" rel=\"noopener\">RES<\/a>).<\/p>\n<p>In our society, more than 66% of generated energy is wasted, most of it as heat. Thermoelectric, TE, devices stand as the most promising technology to recover part of this wasted heat. Traditionally, TE material efficiency is measured by the figure of merit, zT. Reducing lattice thermal conductivity, kl, is probably the most straightforward approach to enhance zT. While most of these models are designed to predict directly one of the quantities that are related to zT, the biggest challenge is to establish connections between real space (atomic structure, chemical composition and microstructure) and reciprocal space properties (transport properties and zT). Our goal is to connect the variables that can be controlled during the design, synthesis and processing of a TE material with their final transport properties and efficiency.<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Jose Javier Plata Ramos.\u00a0Universidad de Sevilla (US). Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). In our society, more than 66% of generated energy is &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2212","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.6 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Computational modelling and design of thermoelectric materials based on metal chalcogenides and oxychalcogenides: the effects of the chemical composition - Fundaci\u00f3n COMPUTAEX<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/computaex.es\/en\/proyectos\/proyecto-computational-modelling-and-design-of-thermoelectric-materials-based-on-metal-chalcogenides-and-oxychalcogenides-the-effects-of-the-chemical-composition\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Computational modelling and design of thermoelectric materials based on metal chalcogenides and oxychalcogenides: the effects of the chemical composition - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Jose Javier Plata Ramos.\u00a0Universidad de Sevilla (US). 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